Abstract
Liquid flow dynamics through the armchair (6,6)-(160,160) carbon nanotubes (CNTs) is elucidated by molecular dynamics simulations. The liquid is modeled by nonpolar argon atoms to understand the fundamental flow physics. The velocity profiles and slip lengths are discussed considering the radial distributions of the fluid density by the presently proposed finite difference-based velocity fitting method. It is found that as the CNT diameter D increases, the slip length and the flow rate enhancement show three-step transitional profiles in the region of D≤2.3 nm. The slip length and the flow rate stepwise increase at the first transition while they drop at the second and third transitions. The first transition corresponds to the structural change from the single-file chain to single-ring structures of the molecule cluster. The second and third transitions take place when the ring structure starts to develop another inner layer.
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